Sugi Predict

Sugi Predict / Compounds / 2,6-Dichlorophenol

2,6-Dichlorophenol

2,6-Dichlorophenol

SCHEMBL28916675

Oc1ccccc1I.[Na+].[O-]c1c(Cl)cccc1Cl

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 2,6-Dichlorophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 known ✓ Q92731 1/20 0.34
▸ CA2 known ✓ P00918 2/20 0.33
▸ CA12 known ✓ O43570 1/20 0.33
▸ CA4 known ✓ P22748 1/20 0.33
▸ PTGS1 known ✓ P23219 1/20 0.31
▸ PTGS2 known ✓ P35354 1/20 0.31
▸ CA1 known ✓ P00915 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 2/20 0.43
▸ ESR1 P03372 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ FYN P06241 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
2,6-Dichlorophenol SCHEMBL142668 0.82 ALDH1A1 (0.52) ALDH1A1TSHRESR1ESR2LMNA
2-Chlorophenol SCHEMBL3835310 0.81 ALDH1A1 (0.71) ALDH1A1TSHRESR2LMNAHPGD
SCHEMBL733271 0.80 TSHR (0.71) ALDH1A1TSHRESR1ESR2LMNA
2,6-Dichlorophenol SCHEMBL45346 0.80 ALDH1A1 (0.50) ALDH1A1TSHRESR1ESR2LMNA
SCHEMBL27394046 0.78 TSHR (0.68) ALDH1A1TSHRESR1ESR2LMNA
SCHEMBL5720 0.76 — —
2,6-Dichlorophenol SCHEMBL8413599 0.76 CYP1A2 (0.47) ALDH1A1TSHRLMNAHPGDKDM4E
Ammonia Solution, Strong SCHEMBL27893875 0.73 — —
Hydrochloric Acid SCHEMBL28141447 0.73 ALDH1A1 (0.53) ALDH1A1TSHRLMNAHPGDKDM4E
Hydrogen Sulfide SCHEMBL28872365 0.73 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105522-B Oriental water plantain triterpenes compound, preparation method, structure characterization method and application thereof 神威药业集团有限公司 2022-04-01 — — CN disclosed
CN-109336829-B Aryl formamide compound containing 1,2, 3-triazole structure and application thereof 沈阳药科大学 2022-03-01 — — CN disclosed
CN-113105522-A Oriental water plantain triterpenes compound, preparation method, structure characterization method and application thereof 神威药业集团有限公司 2021-07-13 — — CN disclosed